N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

C18H25N5O3S — CID 9371955

IUPACN-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
SMILESCCCN(CC(=O)NC(=O)NC1CCCC1)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C18H25N5O3S/c1-2-9-23(11-15(24)20-18(25)19-13-6-3-4-7-13)12-16-21-22-17(26-16)14-8-5-10-27-14/h5,8,10,13H,2-4,6-7,9,11-12H2,1H3,(H2,19,20,24,25)
InChIKeyHAUUBYBCOHCGOT-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.78
Rot. Bonds8

About N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (PubChem CID 9371955) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
PubChem CID9371955
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC NameN-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
SMILESCCCN(CC(=O)NC(=O)NC1CCCC1)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C18H25N5O3S/c1-2-9-23(11-15(24)20-18(25)19-13-6-3-4-7-13)12-16-21-22-17(26-16)14-8-5-10-27-14/h5,8,10,13H,2-4,6-7,9,11-12H2,1H3,(H2,19,20,24,25)
InChIKeyHAUUBYBCOHCGOT-UHFFFAOYSA-N
XLogP2.78
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]acetamide
CID 9370702
2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 18197617
ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
CID 60673442
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8711077
N-(4-propan-2-ylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9372310
methyl 3-[[2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]amino]thiophene-2-carboxylate
CID 24566610
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 24566612
N-(5-chloro-2-fluorophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9372262
N-(4-nitrophenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9374912
N-[1-(4-ethylphenyl)ethyl]-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 18088478
N-(4-chloro-2-methylphenyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 9374987
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 8689948

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (CID 9371955) is N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is CCCN(CC(=O)NC(=O)NC1CCCC1)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The InChIKey is HAUUBYBCOHCGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-2-9-23(11-15(24)20-18(25)19-13-6-3-4-7-13)12-16-21-22-17(26-16)14-8-5-10-27-14/h5,8,10,13H,2-4,6-7,9,11-12H2,1H3,(H2,19,20,24,25).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide has a molecular weight of 391.50 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 9371955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).